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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Jun-2023 | t7h_pmm_ppm_opt_ts_bis | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -2534.12996405; Eh | |||
 | 15-Jun-2023 | t7h_pmm_ppm_spe_bis | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -2536.7305642; Eh | |||
 | 20-Sep-2023 | t7h_mmm_pmm_temp | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -2534.11011575; Eh | |||
 | 20-Sep-2023 | t7h_pmm_temp | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -2534.19471535; Eh | |||
 | 20-Sep-2023 | hbtp_ppp_mpp_temp | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2SVP | -1613.26204065; Eh | |||
 | 20-Sep-2023 | hbtp_ppp_temp | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2SVP | -1613.31366924; Eh | |||
 | 20-Sep-2023 | hbtp_mpp_temp | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2SVP | -1613.30555865; Eh | |||
 | 20-Sep-2023 | hbtp_pmm_temp | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RwB97XD | DEF2SVP | -1613.30555865; Eh | |||
 | 20-Sep-2023 | hbtp_mpp_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -1614.9645285; Eh | |||
 | 30-Jan-2023 | pd_picyne_3_pph3_int_1_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP GEN | -3697.46620095; Eh |
Results 31-40 of 91 (Search time: 0.0 seconds).